Pm3Y8Sc3
Alexandria ALEXAlex-ID: agm005689759 · 空间群: Immm (#71)
基础信息
组成
能量与稳定性
电子结构
其他信息
A3B3C8_60_spg71
Pm2Y7 PmY2 Sc
2023-06-29 11:16:22.813254
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005689759).
Th. Cavignac, J. Schmidt, P.-P. De Breuck, A. Loew, T. F. T. Cerqueira, H.-C. Wang, A. Bochkarev, Y. Lysogorskiy, A. H. Romero, R. Drautz, S. Botti and M. A. L. Marques. AI-Driven expansion and application of the Alexandria database. J. Phys. Mater. 9, 025014 (2026). https://doi.org/10.1088/2515-7639/ae6620
@article{Cavignac2026Alexandria,
author = {Cavignac, Th{\'e}o and Schmidt, Jonathan and De Breuck, Pierre-Paul and Loew, Antoine
and Cerqueira, Tiago F. T. and Wang, Hai-Chen and Bochkarev, Anton
and Lysogorskiy, Yury and Romero, Aldo H. and Drautz, Ralf and Botti, Silvana
and Marques, Miguel A. L.},
title = {{AI}-Driven expansion and application of the {A}lexandria database},
journal = {Journal of Physics: Materials},
year = {2026},
volume = {9},
number = {2},
pages = {025014},
doi = {10.1088/2515-7639/ae6620},
url = {https://doi.org/10.1088/2515-7639/ae6620}
}
晶体结构 3D 渲染
加载 3D 结构...
# CIF generated by HEAS from Alexandria entry agm005689759
data_agm005689759
_cell_length_a 5.44623
_cell_length_b 10.25020
_cell_length_c 10.25021
_cell_angle_alpha 55.89370
_cell_angle_beta 74.59360
_cell_angle_gamma 74.59358
_cell_volume 451.86237
_symmetry_space_group_name_H-M 'P 1'
_symmetry_Int_Tables_number 1
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
Pm1 Pm 0.50000 0.00000 0.00000 1.00000
Pm2 Pm 0.00000 0.74120 0.25880 1.00000
Pm3 Pm 1.00000 0.25880 0.74120 1.00000
Y1 Y 0.62417 0.11484 0.63681 1.00000
Y2 Y 0.37583 0.88516 0.36319 1.00000
Y3 Y 0.62417 0.63681 0.11484 1.00000
Y4 Y 0.37583 0.36319 0.88515 1.00000
Y5 Y 0.79976 0.85606 0.54441 1.00000
Y6 Y 0.20024 0.14394 0.45559 1.00000
Y7 Y 0.79976 0.54441 0.85606 1.00000
Y8 Y 0.20024 0.45559 0.14394 1.00000
Sc1 Sc 0.50000 0.50000 0.50000 1.00000
Sc2 Sc 0.82977 0.17023 0.17023 1.00000
Sc3 Sc 0.17023 0.82977 0.82977 1.00000
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